Geometry & MOs

Info

ID:	293867
PubChem CID:	117407434
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-101.13
Dipole, Da:	5.06
IP(EA), eV:	-8.89(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[3-[2-(methylamino)ethyl]phenyl]piperazine-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2(CCCC2)N=C=O)OC)OC

DOS

IR

Vibrations